First-principles investigation of the site preference and alloying effect of Mo, Ta and platinum group metals in gamma '-Co-3(Al, W)

doi:10.1016/j.scriptamat.2008.12.040

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	First-principles investigation of the site preference and alloying effect of Mo, Ta and platinum group metals in gamma '-Co-3(Al, W)
	Chen, Min 1; Wang, Chong-Yu 1,2
通讯作者	Chen, Min(min-chen05@mails.tsinghua.edu.cn)
	2009-04-01
发表期刊	SCRIPTA MATERIALIA
ISSN	1359-6462
卷号	60 期号:8 页码:659-662
摘要	The alloying effect of Mo, Ta and platinum group metals on the properties of gamma'-Co-3(Al, W) are studied using supercell models. It is demonstrated that Mo, Ta, Rh Ir and Pt can stabilize the gamma' phase, and three types of site preference are recognized. The binding energy and the lattice constant of the gamma' phase is modified and the distinct alloying effect of those elements is further revealed by investigating the impurity-induced charge density and the partial density of states. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
关键词	Platinum group Electronic structure Density functional Co-based alloys
资助者	Ministry of Science and Technology of China
DOI	10.1016/j.scriptamat.2008.12.040
收录类别	SCI
语种	英语
资助项目	Ministry of Science and Technology of China[2006CB605102]
WOS研究方向	Science & Technology - Other Topics ; Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000264432800016
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：88[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/96263
专题	中国科学院金属研究所
通讯作者	Chen, Min
作者单位	1.Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Chen, Min,Wang, Chong-Yu. First-principles investigation of the site preference and alloying effect of Mo, Ta and platinum group metals in gamma '-Co-3(Al, W)[J]. SCRIPTA MATERIALIA,2009,60(8):659-662.
APA	Chen, Min,&Wang, Chong-Yu.(2009).First-principles investigation of the site preference and alloying effect of Mo, Ta and platinum group metals in gamma '-Co-3(Al, W).SCRIPTA MATERIALIA,60(8),659-662.
MLA	Chen, Min,et al."First-principles investigation of the site preference and alloying effect of Mo, Ta and platinum group metals in gamma '-Co-3(Al, W)".SCRIPTA MATERIALIA 60.8(2009):659-662.